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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > monoterpenoid > iridoid monoterpenoid > botryoloic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > monoterpenoid > iridoid monoterpenoid > botryoloic acid

Preferred term

botryoloic acid  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H28O6

inchi

  • InChI=1S/C17H28O6/c1-9-6-11(23-10(2)19)13-15(3,4)7-16(5,8-18)17(13,22)12(9)14(20)21/h9,11-13,18,22H,6-8H2,1-5H3,(H,20,21)/t9-,11+,12-,13+,16-,17-/m1/s1

inchikey

  • OLOQSHYLOVYRGK-SVLWDWOGSA-N

mass

  • 328.405

monoisotopicmass

  • 328.18859

smiles

  • O=C(O)[C@@H]1[C@]2(O)[C@](CC([C@@H]2[C@@H](OC(=O)C)C[C@H]1C)(C)C)(CO)C

subset

  • 2_STAR

synonym EXACT

  • (3R,3aS,4S,5R,7S,7aR)-7-acetyloxy-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,4,5,6,7,7a-hexahydroindene-4-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203411

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